trimethyl-[2-(9H-xanthen-9-ylcarbonyloxy)butyl]azanium phosphate

Systemtic Name: trimethyl-[2-(9H-xanthen-9-ylcarbonyloxy)butyl]azanium phosphate Openeye Name: trimethyl-[2-(9H-xanthene-9-carbonyloxy)butyl]ammonium phosphate CAS Name: trimethyl-[2-[oxo(9H-xanthen-9-yl)methoxy]butyl]ammonium phosphate IUPAC Name: trimethyl-[2-(9H-xanthene-9-carbonyloxy)butyl]azanium phosphate Traditional Name: trimethyl-[2-(9H-xanthene-9-carbonyloxy)butyl]ammonium phosphate Formula: C63H78N3O13P MolecularWeight: 1116.279481

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[N+](C)(C)C)OC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.CCC(C[N+](C)(C)C)OC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.CCC(C[N+](C)(C)C)OC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCC(C[N+](C)(C)C)OC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.CCC(C[N+](C)(C)C)OC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.CCC(C[N+](C)(C)C)OC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/3C21H26NO3.H3O4P/c3*1-5-15(14-22(2,3)4)24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20;1-5(2,3)4/h3*6-13,15,20H,5,14H2,1-4H3;(H3,1,2,3,4)/q3*+1;/p-3